Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox: Difference between revisions

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Revision as of 14:28, 10 January 2012 editBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 454314972 of page Tris-(Benzyltriazolylmethyl)amine for the Chem/Drugbox validation project (updated: 'StdInChI').← Previous edit		Revision as of 14:28, 10 January 2012 edit undoBeetstra (talk \| contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 419125449 of page Trisescaline for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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	{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}		{{ambox \| text = This page contains a copy of the infobox ({{tl\|chembox}}) taken from revid of page ] with values updated to verified values.}}
	{{~~Chembox~~		{{chembox
			\| verifiedrevid = 419123931
	\| ImageFile = Tris-(benzyltriazolylmethyl)amine.png
			\| ImageFile = Trisescaline.png
	\| ImageSize =		\| ImageSize =
			\| IUPACName = 2-(3,4,5-triethoxyphenyl)ethanamine
	\| IUPACName = 1-(1-benzyltriazol-4-yl)-N,N-bismethanamine
	\| OtherNames =		\| OtherNames = 3,4,5-triethoxyphenethylamine
	\| Section1 = {{Chembox Identifiers		\| Section1 = {{Chembox Identifiers
	\| InChI = 1S/~~C30H30N10~~/c1-4-~~10-25(11-5-1)~~16-38-22-28(31-34-38)19-37(~~20-29-23-39(35-32-29)~~17-~~26-12-6~~-2~~-7-13-26~~)~~21-30-24-40~~(~~36-33-30~~)18-~~27-14-8~~-3~~-9-15-27~~/h1-15,22-~~24H~~,16-~~21H2~~		\| InChI = 1/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12)18-6-3/h9-10H,4-8,15H2,1-3H3
			\| InChIKey = ZIZQSXJSBRQJEB-UHFFFAOYAB
⚫	\| ~~InChIKey1~~ = ~~WKGZJBVXZWCZQC~~-UHFFFAOYSA-N
			\| ChEMBL_Ref = {{ebicite\|correct\|EBI}}
	\| InChI1 = 1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
	\| ~~CASNo~~ =		\| ChEMBL = 355146
			\| StdInChI_Ref = {{stdinchicite\|correct\|chemspider}}
⚫	\| PubChem = ~~11203363~~
			\| StdInChI = 1S/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12)18-6-3/h9-10H,4-8,15H2,1-3H3
⚫	\| ChemSpiderID = ~~9378431~~
			\| StdInChIKey_Ref = {{stdinchicite\|correct\|chemspider}}
	\| StdInChIKey = WKGZJBVXZWCZQC-UHFFFAOYSA-N
		⚫	\| StdInChIKey = ZIZQSXJSBRQJEB-UHFFFAOYSA-N
	\| SMILES = c1ccc(cc1)Cn2cc(nn2)CN(Cc3cn(nn3)Cc4ccccc4)Cc5cn(nn5)Cc6ccccc6
			\| CASNo = <!-- blanked - oldvalue: 90109-63-0 -->
	\| StdInChI = 1S/C30H30N10/c1-4-10-25(11-5-1)16-38-22-28(31-34-38)19-37(20-29-23-39(35-32-29)17-26-12-6-2-7-13-26)21-30-24-40(36-33-30)18-27-14-8-3-9-15-27/h1-15,22-24H,16-21H2
			\| ChemSpiderID_Ref = {{chemspidercite\|correct\|chemspider}}
	}}
		⚫	\| ChemSpiderID=21106399
		⚫	\| PubChem =
			\| SMILES = CCOc1c(cc(cc1OCC)CCN)OCC}}
	\| Section2 = {{Chembox Properties		\| Section2 = {{Chembox Properties
			\| Formula = C<sub>14</sub>H<sub>23</sub>NO<sub>3</sub>
	\| C = 30 \| H = 30 \| N = 10
			\| MolarMass = 253.337 g/mol
	\| Appearance =
	\| ~~Density~~ =		\| Appearance =
	\| ~~MeltingPt~~ =		\| Density =
	\| ~~BoilingPt~~ =		\| MeltingPt =
	\| ~~Solubility~~ =		\| BoilingPt =
	}}		\| Solubility = }}
	\| Section3 = {{Chembox Hazards		\| Section3 = {{Chembox Hazards
	\| MainHazards =		\| MainHazards =
	\| FlashPt =		\| FlashPt =
	\| Autoignition =		\| Autoignition = }}
	}}
	}}		}}

Revision as of 14:28, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 419125449 of page Trisescaline with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Names

IUPAC name 2-(3,4,5-triethoxyphenyl)ethanamine
Other names 3,4,5-triethoxyphenethylamine
Identifiers
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL355146
ChemSpider	21106399
InChI InChI=1S/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12)18-6-3/h9-10H,4-8,15H2,1-3H3Key: ZIZQSXJSBRQJEB-UHFFFAOYSA-N InChI=1/C14H23NO3/c1-4-16-12-9-11(7-8-15)10-13(17-5-2)14(12)18-6-3/h9-10H,4-8,15H2,1-3H3Key: ZIZQSXJSBRQJEB-UHFFFAOYAB
SMILES CCOc1c(cc(cc1OCC)CCN)OCC
Properties
Chemical formula	C₁₄H₂₃NO₃
Molar mass	253.337 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Y verify (what is ?) Infobox references

Chemical compound